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Title: Materials Data on Rb2FeOF5 by Materials Project

Abstract

Rb2FeOF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to two equivalent O and ten F atoms. Both Rb–O bond lengths are 3.41 Å. There are a spread of Rb–F bond distances ranging from 2.93–3.16 Å. Fe is bonded in an octahedral geometry to one O and five F atoms. The Fe–O bond length is 1.84 Å. There are a spread of Fe–F bond distances ranging from 1.87–1.93 Å. O is bonded in a single-bond geometry to four equivalent Rb and one Fe atom. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the second F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the third F site, F is bonded in a single-bond geometry to four equivalent Rb and one Fe atom.

Publication Date:
Other Number(s):
mp-1179784
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb2FeOF5; F-Fe-O-Rb
OSTI Identifier:
1663880
DOI:
https://doi.org/10.17188/1663880

Citation Formats

The Materials Project. Materials Data on Rb2FeOF5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663880.
The Materials Project. Materials Data on Rb2FeOF5 by Materials Project. United States. doi:https://doi.org/10.17188/1663880
The Materials Project. 2019. "Materials Data on Rb2FeOF5 by Materials Project". United States. doi:https://doi.org/10.17188/1663880. https://www.osti.gov/servlets/purl/1663880. Pub date:Sat Nov 16 00:00:00 EST 2019
@article{osti_1663880,
title = {Materials Data on Rb2FeOF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2FeOF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to two equivalent O and ten F atoms. Both Rb–O bond lengths are 3.41 Å. There are a spread of Rb–F bond distances ranging from 2.93–3.16 Å. Fe is bonded in an octahedral geometry to one O and five F atoms. The Fe–O bond length is 1.84 Å. There are a spread of Fe–F bond distances ranging from 1.87–1.93 Å. O is bonded in a single-bond geometry to four equivalent Rb and one Fe atom. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the second F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the third F site, F is bonded in a single-bond geometry to four equivalent Rb and one Fe atom.},
doi = {10.17188/1663880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {11}
}